[gmx-users] g_chi-like analysis for nucleic acid residues

[Josip Lovrić]

Sorry you are looking for dihedrals I have just sow that, I think gmx
gangle can not do that.


2014-04-14 23:34 GMT+02:00 Josip Lovrić <josip7lovric at gmail.com>:

> If I understood you correctly, I think you are looking for gmx gangle. It
> is part of 5.0 version. You need to install new version.
> Check hear
> http://www.gromacs.org/Documentation/How-tos/Tool_Changes_for_5.0
>
>
> 2014-04-14 23:09 GMT+02:00 sbowerma <sbowerma at hawk.iit.edu>:
>
> Hi Justin,
>>
>> Thanks for your response.  I did see the g_angle tool, but doesn't it
>> have a
>> similar limitation as AMBER's ptraj?  From what I can see, I would still
>> need to script out an index file for every single dihedral atom set of
>> interest (which is all of them and I have over 1k residues).  While this
>> is
>> of course do-able, I was looking for more of an "intelligent" tool, like
>> g_chi, that already knows dihedral definitions after you pass it a pdb
>> full
>> of residue names (or something equivalent).  As I mentioned, I will be
>> doing
>> this analysis for several different systems, so I am just trying to figure
>> out what tools are worth my time developing and what tools are already
>> being
>> used.  Thanks again!
>>
>> Sam
>>
>> --
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>> Sent from the GROMACS Users Forum mailing list archive at Nabble.com.
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